[1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid

C26H23N3O3 — CID 154197289

IUPAC[1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid
SMILESO=CC(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)O
InChIInChI=1S/C26H23N3O3/c30-18-24(28-25(31)32)16-23-17-29(19-27-23)26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,17-19,24,28H,16H2,(H,31,32)
InChIKeyGDRQVHIGXXSMEJ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.10
Rot. Bonds8

About [1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid

[1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid (PubChem CID 154197289) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is [1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid
PubChem CID154197289
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name[1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid
SMILESO=CC(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)O
InChIInChI=1S/C26H23N3O3/c30-18-24(28-25(31)32)16-23-17-29(19-27-23)26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,17-19,24,28H,16H2,(H,31,32)
InChIKeyGDRQVHIGXXSMEJ-UHFFFAOYSA-N
XLogP4.10
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid
CID 98008916
(2S)-2-(methylamino)-3-(1-tritylimidazol-4-yl)propanoic acid
CID 71173435
methyl (2S)-2-methyl-3-(1-tritylimidazol-4-yl)propanoate
CID 155065705
1-(1-tritylimidazol-4-yl)propan-2-ol
CID 139755618
methyl 2-amino-3-(1-tritylimidazol-4-yl)propanoate;hydrochloride
CID 53396006
2-(1-tritylimidazol-4-yl)acetaldehyde
CID 22254261
(2S)-2-[benzyl(formyl)amino]-3-(1-tritylimidazol-4-yl)propanoic acid
CID 134349602
2-[[2-(benzylamino)acetyl]amino]-N-methyl-3-(1-tritylimidazol-4-yl)propanamide
CID 67422629
2-nitro-3-(1-tritylimidazol-4-yl)propan-1-ol
CID 118989851
benzyl (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoate
CID 102137905
3-(1-tritylimidazol-4-yl)propanoate
CID 7408441
[1-oxo-1-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid
CID 118525688

Frequently Asked Questions

What is the IUPAC name of [1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid?
The IUPAC name of [1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid (CID 154197289) is [1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid.
What is the SMILES notation for [1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid?
The canonical SMILES for [1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid is O=CC(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)O.
What is the InChIKey of [1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid?
The InChIKey is GDRQVHIGXXSMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-18-24(28-25(31)32)16-23-17-29(19-27-23)26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,17-19,24,28H,16H2,(H,31,32).
What are the key properties of [1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid?
[1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid has a molecular weight of 425.49 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid is sourced from PubChem (CID 154197289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).